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CHEBI:80595 - 1-Hydroxyhexane-1,2,6-tricarboxylate

ChEBI IDCHEBI:80595
ChEBI Name1-Hydroxyhexane-1,2,6-tricarboxylate
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DownloadsMolfile
FormulaC9H14O7
Net Charge0
Average Mass234.204
Monoisotopic Mass234.07395
SMILESO=C(O)CCCC[C@H](C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m0/s1
InChIKeyNLOCBSDWTSPKMJ-CAHLUQPWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595) is a carbonyl compound (CHEBI:36586)
1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595) is conjugate acid of (−)-threo-isotrihomocitrate(3−) (CHEBI:177881)
Incoming Relation(s)
(−)-threo-isotrihomocitrate(3−) (CHEBI:177881) is conjugate base of 1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595)
Manual XrefsDatabases
C16600KEGG COMPOUND